1-{2-[benzyl(ethyl)amino]-2-oxoethyl}-3-(3,4-dichlorophenyl)-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
1-{2-[benzyl(ethyl)amino]-2-oxoethyl}-3-(3,4-dichlorophenyl)-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
1-{2-[benzyl(ethyl)amino]-2-oxoethyl}-3-(3,4-dichlorophenyl)-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K305-0056 |
| Compound Name: | 1-{2-[benzyl(ethyl)amino]-2-oxoethyl}-3-(3,4-dichlorophenyl)-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 573.5 |
| Molecular Formula: | C27 H26 Cl2 N4 O4 S |
| Smiles: | CCN(Cc1ccccc1)C(CN1C(N(C(c2c(C)c(C(N(C)C)=O)sc12)=O)c1ccc(c(c1)[Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7912 |
| logD: | 3.7912 |
| logSw: | -4.472 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.787 |
| InChI Key: | ILZSKCBJALLFQA-UHFFFAOYSA-N |